Mat3ra 2D, Season 2, Episode 2 - relaxation with MLFF and DFT.

Recording of the Mat3ra.com webinar - Mat3ra 2D: Season 2, Episode 2 - running structural relaxation workflows with MLFF and DFT. 0:00 Introductory Remarks from TB 1:38 Today's Agenda 3:37 The Software Stack Components 6:50 Implementation Details: Ontologies, Categorization 10:17 What we will cover today 12:16 Gr/Ni(111) pre-relaxation with MACE: explanation 13:54 Gr/Ni(111) pre-relaxation with MACE: demo on jupyterlite.mat3ra.com 22:58 Gr/Ni(111) FC relaxation with DFT: explanation 25:18 Gr/Ni(111) FC relaxation with DFT: demo on jupyterlite.mat3ra.com 32:44 hBN/Gr VC relaxation with DFT: explanation 35:37 hBN/Gr VC relaxation with DFT: demo on jupyterlite.mat3ra.com 46:50 Where to access notebooks 48:30 Summary 49:10 Q&A The presentation is available at: https://docs.google.com/presentation/...

Join Today
Mat3ra 2D, Season 2, Episode 3 - Electronic Structure.
▶︎

Mat3ra 2D, Season 2, Episode 3 - Electronic Structure.

Scott Aaronson - The TRUTH About Quantum Computing
▶︎

Scott Aaronson - The TRUTH About Quantum Computing

Build WordPress Website with Claude (AI Builds Everything in Minutes)
▶︎

Build WordPress Website with Claude (AI Builds Everything in Minutes)

Keynote: After the AI Hype – What’s Real, and What’s Next - Richard Campbell - 2026
▶︎

Keynote: After the AI Hype – What’s Real, and What’s Next - Richard Campbell - 2026

Something is jamming GPS over Europe. Here's what we found
▶︎

Something is jamming GPS over Europe. Here's what we found

What Nobody Tells You About Being a Quant
▶︎

What Nobody Tells You About Being a Quant

The Insane Genius of a Formula 1 Gearbox
▶︎

The Insane Genius of a Formula 1 Gearbox

Billionaire's WARNING: I'm SELLING. The Crash Is Already Here!
▶︎

Billionaire's WARNING: I'm SELLING. The Crash Is Already Here!

Turing Award Winner: Disagreeing with Google, Postgres, Future Problems | Mike Stonebraker
▶︎

Turing Award Winner: Disagreeing with Google, Postgres, Future Problems | Mike Stonebraker

Creator of C++: Bell Labs, Negative Overhead Abstraction, Mistakes | Bjarne Stroustrup
▶︎

Creator of C++: Bell Labs, Negative Overhead Abstraction, Mistakes | Bjarne Stroustrup

Is the AfD a threat to Germany? Mehdi Hasan & Maximilian Krah | Head to Head
▶︎

Is the AfD a threat to Germany? Mehdi Hasan & Maximilian Krah | Head to Head

Yann LeCun: World Models: Enabling the next AI revolution
▶︎

Yann LeCun: World Models: Enabling the next AI revolution

Yann LeCun's $1B Bet Against LLMs [Part 1]
▶︎

Yann LeCun's $1B Bet Against LLMs [Part 1]

The French Do Not Care About Work
▶︎

The French Do Not Care About Work

COLLAPSE of Personal Computing | Investigation Into the Destruction of Ownership
▶︎

COLLAPSE of Personal Computing | Investigation Into the Destruction of Ownership

AlphaFold - The Most Useful Thing AI Has Ever Done
▶︎

AlphaFold - The Most Useful Thing AI Has Ever Done

Inside Anthropic, the $965 Billion AI Juggernaut | The Circuit
▶︎

Inside Anthropic, the $965 Billion AI Juggernaut | The Circuit

The World's Most Important Machine
▶︎

The World's Most Important Machine

But what is quantum computing? (Grover's Algorithm)
▶︎

But what is quantum computing? (Grover's Algorithm)